Geometry & MOs

Info

ID:	271930
PubChem CID:	103701663
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	18.03
Dipole, Da:	2.2
IP(EA), eV:	-8.92(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNCCCC#C

DOS

IR

Vibrations